O1-tert-butyl O2-methyl (2S,3R)-3-(4-chlorophenyl)pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-methyl (2S,3R)-3-(4-chlorophenyl)pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-methyl (2S,3R)-3-(4-chlorophenyl)pyrrolidine-1,2-dicarboxylate CAS Name: (2S,3R)-3-(4-chlorophenyl)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester IUPAC Name: 1-O-tert-butyl 2-O-methyl (2S,3R)-3-(4-chlorophenyl)pyrrolidine-1,2-dicarboxylate Traditional Name: (2S,3R)-3-(4-chlorophenyl)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C17H22ClNO4 MolecularWeight: 339.81388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1C(=O)OC)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@@H]([C@H]1C(=O)OC)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H22ClNO4/c1-17(2,3)23-16(21)19-10-9-13(14(19)15(20)22-4)11-5-7-12(18)8-6-11/h5-8,13-14H,9-10H2,1-4H3/t13-,14+/m1/s1